CID 155528753

C3H6ClOSe — CID 155528753

IUPAC—
SMILESO[C@H](CCl)C[Se]
InChIInChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m1/s1
InChIKeyDNSCHSRAUUISEK-GSVOUGTGSA-N
MW172.49 g/mol
LogP0.17
Rot. Bonds2

About CID 155528753

CID 155528753 (PubChem CID 155528753) has the molecular formula C3H6ClOSe and a molecular weight of 172.49 g/mol.

Molecular Properties

Compound NameCID 155528753
PubChem CID155528753
Molecular FormulaC3H6ClOSe
Molecular Weight172.49 g/mol
Exact Mass172.93
IUPAC Name—
SMILESO[C@H](CCl)C[Se]
InChIInChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m1/s1
InChIKeyDNSCHSRAUUISEK-GSVOUGTGSA-N
XLogP0.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.49
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155528753?
The IUPAC name of CID 155528753 (CID 155528753) is not available.
What is the SMILES notation for CID 155528753?
The canonical SMILES for CID 155528753 is O[C@H](CCl)C[Se].
What is the InChIKey of CID 155528753?
The InChIKey is DNSCHSRAUUISEK-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m1/s1.
What are the key properties of CID 155528753?
CID 155528753 has a molecular weight of 172.49 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155528753 is sourced from PubChem (CID 155528753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).